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Patent code US8969358

Compile Data Set for Download or QSAR
Found 54 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144354
PNG
(US8969358, 105)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:28.27:4.3|
Show InChI InChI=1S/C30H43N3O4/c1-17(2)12-21(31)26(35)32-15-20-14-28-8-9-30(20,36-3)27-29(28)10-11-33(16-18-4-5-18)23(28)13-19-6-7-22(34)25(37-27)24(19)29/h6-7,17-18,20-21,23,27,34H,4-5,8-16,31H2,1-3H3,(H,32,35)/t20-,21+,23-,27-,28-,29+,30-/m1/s1
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US Patent
 0.0600 -54.2n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144350
PNG
(US8969358, 101)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
Show InChI InChI=1S/C33H41N3O4/c1-39-33-12-11-31(17-23(33)18-35-29(38)24(34)15-20-5-3-2-4-6-20)26-16-22-9-10-25(37)28-27(22)32(31,30(33)40-28)13-14-36(26)19-21-7-8-21/h2-6,9-10,21,23-24,26,30,37H,7-8,11-19,34H2,1H3,(H,35,38)/t23-,24+,26-,30-,31-,32+,33-/m1/s1
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US Patent
 0.0600 -54.2n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144355
PNG
(US8969358, 106)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)C1CCCN1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3|
Show InChI InChI=1S/C29H39N3O4/c1-35-29-9-8-27(14-19(29)15-31-25(34)20-3-2-11-30-20)22-13-18-6-7-21(33)24-23(18)28(27,26(29)36-24)10-12-32(22)16-17-4-5-17/h6-7,17,19-20,22,26,30,33H,2-5,8-16H2,1H3,(H,31,34)/t19-,20?,22-,26-,27-,28+,29-/m1/s1
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US Patent
 0.0700 -53.9n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144361
PNG
(US8969358, 112)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CN)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:24.23:4.3|
Show InChI InChI=1S/C26H35N3O4/c1-32-26-7-6-24(11-17(26)13-28-20(31)12-27)19-10-16-4-5-18(30)22-21(16)25(24,23(26)33-22)8-9-29(19)14-15-2-3-15/h4-5,15,17,19,23,30H,2-3,6-14,27H2,1H3,(H,28,31)/t17-,19-,23-,24-,25+,26-/m1/s1
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US Patent
 0.0700 -53.9n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144373
PNG
(US8969358, 124)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:30.29:4.3|
Show InChI InChI=1S/C31H38N2O5S/c1-19-3-8-23(9-4-19)39(35,36)32-17-22-16-29-11-12-31(22,37-2)28-30(29)13-14-33(18-20-5-6-20)25(29)15-21-7-10-24(34)27(38-28)26(21)30/h3-4,7-10,20,22,25,28,32,34H,5-6,11-18H2,1-2H3/t22-,25-,28-,29-,30+,31-/m1/s1
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US Patent
 0.0700 -53.9n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144374
PNG
(US8969358, 125)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3|
Show InChI InChI=1S/C30H36N2O5S/c1-36-30-12-11-28(16-21(30)17-31-38(34,35)22-5-3-2-4-6-22)24-15-20-9-10-23(33)26-25(20)29(28,27(30)37-26)13-14-32(24)18-19-7-8-19/h2-6,9-10,19,21,24,27,31,33H,7-8,11-18H2,1H3/t21-,24-,27-,28-,29+,30-/m1/s1
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US Patent
 0.0800 -53.6n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144385
PNG
(US8969358, 136)
Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)Nc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3|
Show InChI InChI=1S/C31H37N3O4/c1-37-31-12-11-29(16-21(31)17-32-28(36)33-22-5-3-2-4-6-22)24-15-20-9-10-23(35)26-25(20)30(29,27(31)38-26)13-14-34(24)18-19-7-8-19/h2-6,9-10,19,21,24,27,35H,7-8,11-18H2,1H3,(H2,32,33,36)/t21-,24-,27-,29-,30+,31?/m1/s1
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US Patent
 0.0800 -53.6n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144370
PNG
(US8969358, 121)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(N)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:28.27:4.3|
Show InChI InChI=1S/C28H38N4O5/c1-36-28-7-6-26(12-17(28)13-31-24(35)18(29)11-21(30)34)20-10-16-4-5-19(33)23-22(16)27(26,25(28)37-23)8-9-32(20)14-15-2-3-15/h4-5,15,17-18,20,25,33H,2-3,6-14,29H2,1H3,(H2,30,34)(H,31,35)/t17-,18+,20-,25-,26-,27+,28-/m1/s1
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US Patent
 0.0900 -53.3n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144351
PNG
(US8969358, 102)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,TLB:9:10:32.18:13.14|
Show InChI InChI=1S/C30H43N3O4/c1-4-17(2)24(31)26(35)32-15-20-14-28-9-10-30(20,36-3)27-29(28)11-12-33(16-18-5-6-18)22(28)13-19-7-8-21(34)25(37-27)23(19)29/h7-8,17-18,20,22,24,27,34H,4-6,9-16,31H2,1-3H3,(H,32,35)/t17-,20+,22+,24-,27+,28+,29-,30+/m0/s1
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US Patent
 0.0900 -53.3n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144386
PNG
(US8969358, 137)
Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)Nc1cccc(C)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:30.29:4.3|
Show InChI InChI=1S/C32H39N3O4/c1-19-4-3-5-23(14-19)34-29(37)33-17-22-16-30-10-11-32(22,38-2)28-31(30)12-13-35(18-20-6-7-20)25(30)15-21-8-9-24(36)27(39-28)26(21)31/h3-5,8-9,14,20,22,25,28,36H,6-7,10-13,15-18H2,1-2H3,(H2,33,34,37)/t22-,25-,28-,30-,31+,32?/m1/s1
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US Patent
 0.100 -53.1n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144372
PNG
(US8969358, 123)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)C1=CNC4C=CC=CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,c:17,19,t:13,TLB:8:7:31.30:4.3|
Show InChI InChI=1S/C33H39N3O4/c1-39-33-11-10-31(15-21(33)16-35-29(38)23-17-34-24-5-3-2-4-22(23)24)26-14-20-8-9-25(37)28-27(20)32(31,30(33)40-28)12-13-36(26)18-19-6-7-19/h2-5,8-9,17,19,21-22,24,26,30,34,37H,6-7,10-16,18H2,1H3,(H,35,38)/t21-,22?,24?,26-,30-,31-,32+,33-/m1/s1
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US Patent
 0.110 -52.8n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144356
PNG
(US8969358, 107)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:32.31:4.3|
Show InChI InChI=1S/C33H41N3O5/c1-40-33-11-10-31(16-22(33)17-35-29(39)24(34)14-19-4-7-23(37)8-5-19)26-15-21-6-9-25(38)28-27(21)32(31,30(33)41-28)12-13-36(26)18-20-2-3-20/h4-9,20,22,24,26,30,37-38H,2-3,10-18,34H2,1H3,(H,35,39)/t22-,24+,26-,30-,31-,32+,33-/m1/s1
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US Patent
 0.130 -52.5n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144362
PNG
(US8969358, 113)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:35.34:4.3|
Show InChI InChI=1S/C35H43N3O6/c1-20(39)37-26(15-21-5-8-25(40)9-6-21)31(42)36-18-24-17-33-11-12-35(24,43-2)32-34(33)13-14-38(19-22-3-4-22)28(33)16-23-7-10-27(41)30(44-32)29(23)34/h5-10,22,24,26,28,32,40-41H,3-4,11-19H2,1-2H3,(H,36,42)(H,37,39)/t24-,26+,28-,32-,33-,34+,35-/m1/s1
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 0.130 -52.5n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144352
PNG
(US8969358, 103)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](C)N)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:25.24:4.3|
Show InChI InChI=1S/C27H37N3O4/c1-15(28)23(32)29-13-18-12-25-7-8-27(18,33-2)24-26(25)9-10-30(14-16-3-4-16)20(25)11-17-5-6-19(31)22(34-24)21(17)26/h5-6,15-16,18,20,24,31H,3-4,7-14,28H2,1-2H3,(H,29,32)/t15-,18+,20+,24+,25+,26-,27+/m0/s1
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US Patent
 0.140 -52.3n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144364
PNG
(US8969358, 115)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:30.29:4.3|
Show InChI InChI=1S/C31H41N3O5/c1-18(35)34-12-3-4-22(34)27(37)32-16-21-15-29-9-10-31(21,38-2)28-30(29)11-13-33(17-19-5-6-19)24(29)14-20-7-8-23(36)26(39-28)25(20)30/h7-8,19,21-22,24,28,36H,3-6,9-17H2,1-2H3,(H,32,37)/t21-,22+,24-,28-,29-,30+,31-/m1/s1
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US Patent
 0.160 -52.0n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144360
PNG
(US8969358, 111)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:34.33:4.3|
Show InChI InChI=1S/C35H43N3O5/c1-21(39)37-26(16-22-6-4-3-5-7-22)31(41)36-19-25-18-33-12-13-35(25,42-2)32-34(33)14-15-38(20-23-8-9-23)28(33)17-24-10-11-27(40)30(43-32)29(24)34/h3-7,10-11,23,25-26,28,32,40H,8-9,12-20H2,1-2H3,(H,36,41)(H,37,39)/t25-,26+,28-,32-,33-,34+,35-/m1/s1
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 0.160 -52.0n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144378
PNG
(US8969358, 129)
Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)CCC(N)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3|
Show InChI InChI=1S/C28H37N3O5/c1-35-28-9-8-26(13-18(28)14-30-22(34)7-6-21(29)33)20-12-17-4-5-19(32)24-23(17)27(26,25(28)36-24)10-11-31(20)15-16-2-3-16/h4-5,16,18,20,25,32H,2-3,6-15H2,1H3,(H2,29,33)(H,30,34)/t18-,20-,25-,26-,27+,28?/m1/s1
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 0.170 -51.8n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144353
PNG
(US8969358, 104)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CO)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:26.25:4.3|
Show InChI InChI=1S/C27H37N3O5/c1-34-27-7-6-25(11-17(27)12-29-23(33)18(28)14-31)20-10-16-4-5-19(32)22-21(16)26(25,24(27)35-22)8-9-30(20)13-15-2-3-15/h4-5,15,17-18,20,24,31-32H,2-3,6-14,28H2,1H3,(H,29,33)/t17-,18+,20-,24-,25-,26+,27-/m1/s1
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 0.180 -51.7n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144366
PNG
(US8969358, 117)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CNC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3|
Show InChI InChI=1S/C28H37N3O5/c1-16(32)29-14-22(34)30-13-19-12-26-7-8-28(19,35-2)25-27(26)9-10-31(15-17-3-4-17)21(26)11-18-5-6-20(33)24(36-25)23(18)27/h5-6,17,19,21,25,33H,3-4,7-15H2,1-2H3,(H,29,32)(H,30,34)/t19-,21-,25-,26-,27+,28-/m1/s1
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 0.220 -51.2n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144358
PNG
(US8969358, 109)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:30.29:4.3|
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 0.25 -50.9n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144383
PNG
(US8969358, 134)
Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)c1ccccc1C(O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
Show InChI InChI=1S/C32H36N2O6/c1-39-32-11-10-30(15-20(32)16-33-27(36)21-4-2-3-5-22(21)28(37)38)24-14-19-8-9-23(35)26-25(19)31(30,29(32)40-26)12-13-34(24)17-18-6-7-18/h2-5,8-9,18,20,24,29,35H,6-7,10-17H2,1H3,(H,33,36)(H,37,38)/t20-,24-,29-,30-,31+,32?/m1/s1
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 0.320 -50.4n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144359
PNG
(US8969358, 110)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](C)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:28.27:4.3|
Show InChI InChI=1S/C29H39N3O5/c1-16(31-17(2)33)25(35)30-14-20-13-27-8-9-29(20,36-3)26-28(27)10-11-32(15-18-4-5-18)22(27)12-19-6-7-21(34)24(37-26)23(19)28/h6-7,16,18,20,22,26,34H,4-5,8-15H2,1-3H3,(H,30,35)(H,31,33)/t16-,20+,22+,26+,27+,28-,29+/m0/s1
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 0.350 -50.2n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144369
PNG
(US8969358, 120)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CC(C)C)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
Show InChI InChI=1S/C32H45N3O5/c1-18(2)13-23(34-19(3)36)28(38)33-16-22-15-30-9-10-32(22,39-4)29-31(30)11-12-35(17-20-5-6-20)25(30)14-21-7-8-24(37)27(40-29)26(21)31/h7-8,18,20,22-23,25,29,37H,5-6,9-17H2,1-4H3,(H,33,38)(H,34,36)/t22-,23+,25-,29-,30-,31+,32-/m1/s1
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 0.350 -50.2n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM144360
PNG
(US8969358, 111)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:34.33:4.3|
Show InChI InChI=1S/C35H43N3O5/c1-21(39)37-26(16-22-6-4-3-5-7-22)31(41)36-19-25-18-33-12-13-35(25,42-2)32-34(33)14-15-38(20-23-8-9-23)28(33)17-24-10-11-27(40)30(43-32)29(24)34/h3-7,10-11,23,25-26,28,32,40H,8-9,12-20H2,1-2H3,(H,36,41)(H,37,39)/t25-,26+,28-,32-,33-,34+,35-/m1/s1
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 0.360 -58.4n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
u-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perki...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144375
PNG
(US8969358, 126)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)C(F)(F)F)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3|
Show InChI InChI=1S/C25H31F3N2O5S/c1-34-24-7-6-22(11-16(24)12-29-36(32,33)25(26,27)28)18-10-15-4-5-17(31)20-19(15)23(22,21(24)35-20)8-9-30(18)13-14-2-3-14/h4-5,14,16,18,21,29,31H,2-3,6-13H2,1H3/t16-,18-,21-,22-,23+,24-/m1/s1
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 0.370 -50.0n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144363
PNG
(US8969358, 114)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,TLB:12:13:35.21:16.17|
Show InChI InChI=1S/C32H45N3O5/c1-5-18(2)26(34-19(3)36)28(38)33-16-22-15-30-10-11-32(22,39-4)29-31(30)12-13-35(17-20-6-7-20)24(30)14-21-8-9-23(37)27(40-29)25(21)31/h8-9,18,20,22,24,26,29,37H,5-7,10-17H2,1-4H3,(H,33,38)(H,34,36)/t18-,22+,24+,26-,29+,30+,31-,32+/m0/s1
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 0.400 -49.9n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144380
PNG
(US8969358, 131)
Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)CCCCC(N)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3|
Show InChI InChI=1S/C30H41N3O5/c1-37-30-11-10-28(15-20(30)16-32-24(36)5-3-2-4-23(31)35)22-14-19-8-9-21(34)26-25(19)29(28,27(30)38-26)12-13-33(22)17-18-6-7-18/h8-9,18,20,22,27,34H,2-7,10-17H2,1H3,(H2,31,35)(H,32,36)/t20-,22-,27-,28-,29+,30?/m1/s1
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 0.470 -49.5n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144382
PNG
(US8969358, 133)
Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)c1nccnc1C(N)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
Show InChI InChI=1S/C30H35N5O5/c1-39-30-7-6-28(13-18(30)14-34-26(38)23-22(25(31)37)32-9-10-33-23)20-12-17-4-5-19(36)24-21(17)29(28,27(30)40-24)8-11-35(20)15-16-2-3-16/h4-5,9-10,16,18,20,27,36H,2-3,6-8,11-15H2,1H3,(H2,31,37)(H,34,38)/t18-,20-,27-,28-,29+,30?/m1/s1
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 0.480 -49.4n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM144361
PNG
(US8969358, 112)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CN)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:24.23:4.3|
Show InChI InChI=1S/C26H35N3O4/c1-32-26-7-6-24(11-17(26)13-28-20(31)12-27)19-10-16-4-5-18(30)22-21(16)25(24,23(26)33-22)8-9-29(19)14-15-2-3-15/h4-5,15,17,19,23,30H,2-3,6-14,27H2,1H3,(H,28,31)/t17-,19-,23-,24-,25+,26-/m1/s1
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 0.530 -57.4n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
u-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perki...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144371
PNG
(US8969358, 122)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CO)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3|
Show InChI InChI=1S/C29H39N3O6/c1-16(34)31-20(15-33)25(36)30-13-19-12-27-7-8-29(19,37-2)26-28(27)9-10-32(14-17-3-4-17)22(27)11-18-5-6-21(35)24(38-26)23(18)28/h5-6,17,19-20,22,26,33,35H,3-4,7-15H2,1-2H3,(H,30,36)(H,31,34)/t19-,20+,22-,26-,27-,28+,29-/m1/s1
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 0.610 -48.9n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144368
PNG
(US8969358, 119)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CC(N)=O)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
Show InChI InChI=1S/C30H40N4O6/c1-16(35)33-20(12-23(31)37)26(38)32-14-19-13-28-7-8-30(19,39-2)27-29(28)9-10-34(15-17-3-4-17)22(28)11-18-5-6-21(36)25(40-27)24(18)29/h5-6,17,19-20,22,27,36H,3-4,7-15H2,1-2H3,(H2,31,37)(H,32,38)(H,33,35)/t19-,20+,22-,27-,28-,29+,30-/m1/s1
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 0.620 -48.9n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144376
PNG
(US8969358, 127)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNS(C)(=O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:24.23:4.3|
Show InChI InChI=1S/C25H34N2O5S/c1-31-25-8-7-23(12-17(25)13-26-33(2,29)30)19-11-16-5-6-18(28)21-20(16)24(23,22(25)32-21)9-10-27(19)14-15-3-4-15/h5-6,15,17,19,22,26,28H,3-4,7-14H2,1-2H3/t17-,19-,22-,23-,24+,25-/m1/s1
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US Patent
 0.740 -48.4n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM144356
PNG
(US8969358, 107)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:32.31:4.3|
Show InChI InChI=1S/C33H41N3O5/c1-40-33-11-10-31(16-22(33)17-35-29(39)24(34)14-19-4-7-23(37)8-5-19)26-15-21-6-9-25(38)28-27(21)32(31,30(33)41-28)12-13-36(26)18-20-2-3-20/h4-9,20,22,24,26,30,37-38H,2-3,10-18,34H2,1H3,(H,35,39)/t22-,24+,26-,30-,31-,32+,33-/m1/s1
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US Patent
 0.770 -56.4n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
u-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perki...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144365
PNG
(US8969358, 116)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:33.32:4.3|
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 0.950 -47.9n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144384
PNG
(US8969358, 135)
Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)CCc1nnn[nH]1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3|
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 1.15 -47.4n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM144383
PNG
(US8969358, 134)
Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)c1ccccc1C(O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
Show InChI InChI=1S/C32H36N2O6/c1-39-32-11-10-30(15-20(32)16-33-27(36)21-4-2-3-5-22(21)28(37)38)24-14-19-8-9-23(35)26-25(19)31(30,29(32)40-26)12-13-34(24)17-18-6-7-18/h2-5,8-9,18,20,24,29,35H,6-7,10-17H2,1H3,(H,33,36)(H,37,38)/t20-,24-,29-,30-,31+,32?/m1/s1
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US Patent
 1.51 -54.6n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
u-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perki...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM144350
PNG
(US8969358, 101)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
Show InChI InChI=1S/C33H41N3O4/c1-39-33-12-11-31(17-23(33)18-35-29(38)24(34)15-20-5-3-2-4-6-20)26-16-22-9-10-25(37)28-27(22)32(31,30(33)40-28)13-14-36(26)19-21-7-8-21/h2-6,9-10,21,23-24,26,30,37H,7-8,11-19,34H2,1H3,(H,35,38)/t23-,24+,26-,30-,31-,32+,33-/m1/s1
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US Patent
 2.01 -49.6n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Delta-Opioid Receptor Binding Assay Procedures: delta-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displaceme...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144377
PNG
(US8969358, 128)
Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)CCC(O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:27.26:4.3|
Show InChI InChI=1S/C28H36N2O6/c1-35-28-9-8-26(13-18(28)14-29-21(32)6-7-22(33)34)20-12-17-4-5-19(31)24-23(17)27(26,25(28)36-24)10-11-30(20)15-16-2-3-16/h4-5,16,18,20,25,31H,2-3,6-15H2,1H3,(H,29,32)(H,33,34)/t18-,20-,25-,26-,27+,28?/m1/s1
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 2.62 -45.5n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144357
PNG
(US8969358, 108)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:28.27:4.3|
Show InChI InChI=1S/C28H37N3O6/c1-36-28-7-6-26(12-17(28)13-30-24(35)18(29)11-21(33)34)20-10-16-4-5-19(32)23-22(16)27(26,25(28)37-23)8-9-31(20)14-15-2-3-15/h4-5,15,17-18,20,25,32H,2-3,6-14,29H2,1H3,(H,30,35)(H,33,34)/t17-,18+,20-,25-,26-,27+,28-/m1/s1
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 3.05 -45.2n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM144358
PNG
(US8969358, 109)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:30.29:4.3|
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 3.18 -52.6n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
u-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perki...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM144350
PNG
(US8969358, 101)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
Show InChI InChI=1S/C33H41N3O4/c1-39-33-12-11-31(17-23(33)18-35-29(38)24(34)15-20-5-3-2-4-6-20)26-16-22-9-10-25(37)28-27(22)32(31,30(33)40-28)13-14-36(26)19-21-7-8-21/h2-6,9-10,21,23-24,26,30,37H,7-8,11-19,34H2,1H3,(H,35,38)/t23-,24+,26-,30-,31-,32+,33-/m1/s1
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 3.66 -52.2n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
u-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perki...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM144357
PNG
(US8969358, 108)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:28.27:4.3|
Show InChI InChI=1S/C28H37N3O6/c1-36-28-7-6-26(12-17(28)13-30-24(35)18(29)11-21(33)34)20-10-16-4-5-19(32)23-22(16)27(26,25(28)37-23)8-9-31(20)14-15-2-3-15/h4-5,15,17-18,20,25,32H,2-3,6-14,29H2,1H3,(H,30,35)(H,33,34)/t17-,18+,20-,25-,26-,27+,28-/m1/s1
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 4.89 -51.4n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
u-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perki...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM144371
PNG
(US8969358, 122)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CO)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3|
Show InChI InChI=1S/C29H39N3O6/c1-16(34)31-20(15-33)25(36)30-13-19-12-27-7-8-29(19,37-2)26-28(27)9-10-32(14-17-3-4-17)22(27)11-18-5-6-21(35)24(38-26)23(18)28/h5-6,17,19-20,22,26,33,35H,3-4,7-15H2,1-2H3,(H,30,36)(H,31,34)/t19-,20+,22-,26-,27-,28+,29-/m1/s1
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 5.83 -50.9n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
u-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perki...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM144383
PNG
(US8969358, 134)
Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)c1ccccc1C(O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
Show InChI InChI=1S/C32H36N2O6/c1-39-32-11-10-30(15-20(32)16-33-27(36)21-4-2-3-5-22(21)28(37)38)24-14-19-8-9-23(35)26-25(19)31(30,29(32)40-26)12-13-34(24)17-18-6-7-18/h2-5,8-9,18,20,24,29,35H,6-7,10-17H2,1H3,(H,33,36)(H,37,38)/t20-,24-,29-,30-,31+,32?/m1/s1
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 6.46 -46.7n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Delta-Opioid Receptor Binding Assay Procedures: delta-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displaceme...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144367
PNG
(US8969358, 118)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CC(O)=O)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
Show InChI InChI=1S/C30H39N3O7/c1-16(34)32-20(12-23(36)37)26(38)31-14-19-13-28-7-8-30(19,39-2)27-29(28)9-10-33(15-17-3-4-17)22(28)11-18-5-6-21(35)25(40-27)24(18)29/h5-6,17,19-20,22,27,35H,3-4,7-15H2,1-2H3,(H,31,38)(H,32,34)(H,36,37)/t19-,20+,22-,27-,28-,29+,30-/m1/s1
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 7.10 -43.2n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144379
PNG
(US8969358, 130)
Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)CCCCC(O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3|
Show InChI InChI=1S/C30H40N2O6/c1-37-30-11-10-28(15-20(30)16-31-23(34)4-2-3-5-24(35)36)22-14-19-8-9-21(33)26-25(19)29(28,27(30)38-26)12-13-32(22)17-18-6-7-18/h8-9,18,20,22,27,33H,2-7,10-17H2,1H3,(H,31,34)(H,35,36)/t20-,22-,27-,28-,29+,30?/m1/s1
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 13.5 -41.8n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144349
PNG
(US8969358, 100 | US9221831, 81)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CNC(=O)[C@H](C)N)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C28H39N3O4/c1-16(29)24(32)30-14-19-13-26-8-9-28(19,34-3)25-27(26)10-11-31(15-17-4-5-17)21(26)12-18-6-7-20(33-2)23(35-25)22(18)27/h6-7,16-17,19,21,25H,4-5,8-15,29H2,1-3H3,(H,30,32)/t16-,19+,21+,25+,26+,27-,28+/m0/s1
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 13.8 -41.7n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM144381
PNG
(US8969358, 132)
Show SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)c1nccnc1C(O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
Show InChI InChI=1S/C30H34N4O6/c1-39-30-7-6-28(13-18(30)14-33-25(36)22-23(26(37)38)32-10-9-31-22)20-12-17-4-5-19(35)24-21(17)29(28,27(30)40-24)8-11-34(20)15-16-2-3-16/h4-5,9-10,16,18,20,27,35H,2-3,6-8,11-15H2,1H3,(H,33,36)(H,37,38)/t18-,20-,27-,28-,29+,30?/m1/s1
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US Patent
 15.3 -41.5n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned i...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM144361
PNG
(US8969358, 112)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CN)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:24.23:4.3|
Show InChI InChI=1S/C26H35N3O4/c1-32-26-7-6-24(11-17(26)13-28-20(31)12-27)19-10-16-4-5-18(30)22-21(16)25(24,23(26)33-22)8-9-29(19)14-15-2-3-15/h4-5,15,17,19,23,30H,2-3,6-14,27H2,1H3,(H,28,31)/t17-,19-,23-,24-,25+,26-/m1/s1
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 16.2 -44.5n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Delta-Opioid Receptor Binding Assay Procedures: delta-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displaceme...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM144371
PNG
(US8969358, 122)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CO)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3|
Show InChI InChI=1S/C29H39N3O6/c1-16(34)31-20(15-33)25(36)30-13-19-12-27-7-8-29(19,37-2)26-28(27)9-10-32(14-17-3-4-17)22(27)11-18-5-6-21(35)24(38-26)23(18)28/h5-6,17,19-20,22,26,33,35H,3-4,7-15H2,1-2H3,(H,30,36)(H,31,34)/t19-,20+,22-,26-,27-,28+,29-/m1/s1
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 20.3 -43.9n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Delta-Opioid Receptor Binding Assay Procedures: delta-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displaceme...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM144358
PNG
(US8969358, 109)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:30.29:4.3|
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 58.8 -41.3n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Delta-Opioid Receptor Binding Assay Procedures: delta-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displaceme...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM144357
PNG
(US8969358, 108)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:28.27:4.3|
Show InChI InChI=1S/C28H37N3O6/c1-36-28-7-6-26(12-17(28)13-30-24(35)18(29)11-21(33)34)20-10-16-4-5-19(32)23-22(16)27(26,25(28)37-23)8-9-31(20)14-15-2-3-15/h4-5,15,17-18,20,25,32H,2-3,6-14,29H2,1H3,(H,30,35)(H,33,34)/t17-,18+,20-,25-,26-,27+,28-/m1/s1
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 60.4 -41.2n/an/an/an/an/a7.425



Purdue Pharma L.P.

US Patent


Assay Description
Delta-Opioid Receptor Binding Assay Procedures: delta-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displaceme...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM144349
PNG
(US8969358, 100 | US9221831, 81)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CNC(=O)[C@H](C)N)OC |r,THB:26:25:15.16:22.21|
Show InChI InChI=1S/C28H39N3O4/c1-16(29)24(32)30-14-19-13-26-8-9-28(19,34-3)25-27(26)10-11-31(15-17-4-5-17)21(26)12-18-6-7-20(33-2)23(35-25)22(18)27/h6-7,16-17,19,21,25H,4-5,8-15,29H2,1-3H3,(H,30,32)/t16-,19+,21+,25+,26+,27-,28+/m0/s1
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 190 -41.6n/an/an/an/an/a7.450



Purdue Pharma L.P.

US Patent


Assay Description
u-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perki...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))		BDBM144350
PNG
(US8969358, 101)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:31.30:4.3|
Show InChI InChI=1S/C33H41N3O4/c1-39-33-12-11-31(17-23(33)18-35-29(38)24(34)15-20-5-3-2-4-6-20)26-16-22-9-10-25(37)28-27(22)32(31,30(33)40-28)13-14-36(26)19-21-7-8-21/h2-6,9-10,21,23-24,26,30,37H,7-8,11-19,34H2,1H3,(H,35,38)/t23-,24+,26-,30-,31-,32+,33-/m1/s1
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 229 -35.2n/an/an/an/an/a7.44



Purdue Pharma L.P.

US Patent


Assay Description
ORL-1 Receptor Binding Assay Procedure: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Perkin E...

US Patent US8969358 (2015)


BindingDB Entry DOI: 10.7270/Q2DF6PXG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%